10-acetyl-11-[4-(benzyloxy)-3-methoxyphenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-acetyl-11-[4-(benzyloxy)-3-methoxyphenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-acetyl-11-[4-(benzyloxy)-3-methoxyphenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3046-8841 |
| Compound Name: | 10-acetyl-11-[4-(benzyloxy)-3-methoxyphenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 496.61 |
| Molecular Formula: | C31 H32 N2 O4 |
| Smiles: | CC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccc(c(c1)OC)OCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2235 |
| logD: | 4.9937 |
| logSw: | -5.2151 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.849 |
| InChI Key: | PNTOXXYTCJYURV-PMERELPUSA-N |